SCHEMBL6771453

SCHEMBL6771453

NC(=O)N(c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1-c1nnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.37
MPO P05164 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
KIF11 P52732 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
GRIK1 P39086 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
HSP90AA1 P07900 1/20 0.34
CXCR5 P32302 1/20 0.34
APLNR P35414 1/20 0.34
CCR6 P51684 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
MAOB P27338 1/20 0.33
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6771253 0.92 KEAP1 (0.39) SCN2AMPOLMNASMN1; SMN2KIF11
SCHEMBL31344596 0.86 RORC (0.35)
SCHEMBL6776081 0.86 RORC (0.35)
SCHEMBL31337247 0.85 CHEK2 (0.36) MAOB
SCHEMBL31337191 0.85 GPR35 (0.41) MPOSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6772436 0.85 GPR35 (0.41) MPOSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL31337135 0.85 GPR35 (0.34) SMN1; SMN2MEN1KMT2AMAPTMAOB
SCHEMBL6782022 0.85 GPR35 (0.34) SMN1; SMN2MEN1KMT2AMAPTMAOB
SCHEMBL6775914 0.84 KIF11 (0.37) KIF11
SCHEMBL6775462 0.83 KIF11 (0.39) KIF11RXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977741-B1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2003-09-03 EP claimed
US-6297261-B1 POTENT CHLORIDE CHANNEL BLOCKERS; TREATMENT OF SICKLE CELL ANEMIA, BRAIN EDEMA FOLLOWING ISCHAEMIA OR TUMORS, DIARRHEA, HYPERTENSION (DIURETIC), OSTEOPOROSIS, AND FOR THE REDUCTION OF THE INTRAOCULAR PRESSURE NEUROSEARCH A/S (DK) 2001-10-02 US claimed
US-6696475-B2 N-PHENYL-N'-(2-CARBOXYPHENYL) UREA, FOR EXAMPLE; CHLORIDE CHANNEL BLOCKERS; SUCH AS FOR TREATING BONE METABOLIC DISORDERS NEUROSEARCH A/S (DK) 2004-02-24 US disclosed
EP-0977741-B1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2003-09-03 EP disclosed
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 2002-03-28 US disclosed
US-6297261-B1 POTENT CHLORIDE CHANNEL BLOCKERS; TREATMENT OF SICKLE CELL ANEMIA, BRAIN EDEMA FOLLOWING ISCHAEMIA OR TUMORS, DIARRHEA, HYPERTENSION (DIURETIC), OSTEOPOROSIS, AND FOR THE REDUCTION OF THE INTRAOCULAR PRESSURE NEUROSEARCH A/S (DK) 2001-10-02 US disclosed
EP-0977741-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-02-09 EP disclosed
WO-1998047879-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1998-10-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNH2, KCNJ2 SCN2A 98/4885MPO 2457/4885LMNA 1157/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.